Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50323613'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50323613 ((+/-)-1-(3-(4-chlorobenzyl)-3-phenylpiperidin-1-yl...) Show SMILES CC(C)(Oc1ccc(cn1)C(F)(F)F)C(=O)N1CCCC(Cc2ccc(Cl)cc2)(C1)c1ccccc1 Show InChI InChI=1S/C28H28ClF3N2O2/c1-26(2,36-24-14-11-22(18-33-24)28(30,31)32)25(35)34-16-6-15-27(19-34,21-7-4-3-5-8-21)17-20-9-12-23(29)13-10-20/h3-5,7-14,18H,6,15-17,19H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]CP55490 from human recombinant cannabinoid CB1 receptor expressed in CHO cells				Bioorg Med Chem Lett 20: 4757-61 (2010) Article DOI: 10.1016/j.bmcl.2010.06.127 BindingDB Entry DOI: 10.7270/Q2NK3F71
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